Lucilia sericata Lucifensin as a Therapeutic Inhibitor: Protein Structure Predictions and Effects on JAK Kinase and PDE-4 in Atopic Dermatitis

Abstract

Lucifensin is an antimicrobial component structurally located in Lucilia sericata and functions as a defensin. Lucilia sericata larvae are used in the treatment of chronic wounds which are named Maggot Debridement Therapy. While the larvae perform debridement at the wound site, larval secretions also exhibit antimicrobial effects. Lucifensin is believed to be the key component underlying the mentioned debridement feature. This study aims to enhance the protein structure prediction accuracy of lucifensin through in silico approaches and to reveal its potential inhibitory effects on structures involved in atopic dermatitis, a chronic inflammatory disease. The genome mining of Lucilia sericata has revealed the structural proteins it secretes. Simultaneously, the three-dimensional structures of lucifensin were modeled, validated, and its active regions predicted. Through protein-protein docking and molecular dynamics, antagonist effects on JAK-Kinase 1 and Phosphodiesterase 4, which are involved in atopic dermatitis, were identified with high binding affinity. The results obtained demonstrate that lucifensin hold great potential for therapeutic effects beyond its antimicrobial activity.